CID 3119445

64464-22-8

Structural Information

Molecular Formula
C10H9N3O4
SMILES
CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O4/c1-10(8(14)11-9(15)12-10)6-2-4-7(5-3-6)13(16)17/h2-5H,1H3,(H2,11,12,14,15)
InChIKey
NWBOWKFCGBXAIE-UHFFFAOYSA-N
Compound name
5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

32
Patents

235.05931 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 147.1
[M+Na]+ 258.04853 154.9
[M-H]- 234.05203 149.4
[M+NH4]+ 253.09313 163.6
[M+K]+ 274.02247 147.0
[M+H-H2O]+ 218.05657 145.2
[M+HCOO]- 280.05751 167.1
[M+CH3COO]- 294.07316 177.2
[M+Na-2H]- 256.03398 153.3
[M]+ 235.05876 141.6
[M]- 235.05986 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe